3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide

C27H29N3O3 — CID 127250409

IUPAC3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide
SMILESCC1(C)Cc2cc(CN3CCOC(c4ccc(-c5cccc(C(N)=O)c5)cn4)C3)ccc2O1
InChIInChI=1S/C27H29N3O3/c1-27(2)14-22-12-18(6-9-24(22)33-27)16-30-10-11-32-25(17-30)23-8-7-21(15-29-23)19-4-3-5-20(13-19)26(28)31/h3-9,12-13,15,25H,10-11,14,16-17H2,1-2H3,(H2,28,31)
InChIKeyYTANLNZNQDEQSY-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.13
Rot. Bonds5

About 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide

3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide (PubChem CID 127250409) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide
PubChem CID127250409
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide
SMILESCC1(C)Cc2cc(CN3CCOC(c4ccc(-c5cccc(C(N)=O)c5)cn4)C3)ccc2O1
InChIInChI=1S/C27H29N3O3/c1-27(2)14-22-12-18(6-9-24(22)33-27)16-30-10-11-32-25(17-30)23-8-7-21(15-29-23)19-4-3-5-20(13-19)26(28)31/h3-9,12-13,15,25H,10-11,14,16-17H2,1-2H3,(H2,28,31)
InChIKeyYTANLNZNQDEQSY-UHFFFAOYSA-N
XLogP4.13
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide (CID 127250409) is 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide is CC1(C)Cc2cc(CN3CCOC(c4ccc(-c5cccc(C(N)=O)c5)cn4)C3)ccc2O1.
What is the InChIKey of 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide?
The InChIKey is YTANLNZNQDEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-27(2)14-22-12-18(6-9-24(22)33-27)16-30-10-11-32-25(17-30)23-8-7-21(15-29-23)19-4-3-5-20(13-19)26(28)31/h3-9,12-13,15,25H,10-11,14,16-17H2,1-2H3,(H2,28,31).
What are the key properties of 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide?
3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 127250409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).